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CAS 13192-05-7 oxalacetic acid 4-methyl ester molecular structure lightbox
CAS RN: 13192-05-7

oxalacetic acid 4-methyl ester

  • Product code: SSC-038992
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13192-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13192-05-7 / 4-methoxy-2,4-dioxobutanoic acid

Standard CAS: 13192-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13192-05-7
Multi CAS
No
Molecular Formula
C5H6O5
Molecular Weight
146.100000
Exact Mass
146.021523
SMILES
COC(=O)CC(=O)C(=O)O
InChI
InChI=1S/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)
InChIKey
MAIRDOOJJIGWBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
29.28
TPSA
80.67

LogP / Solubility

WLOGP
-0.8
MLOGP
-0.71
XLogP3
-0.3
Consensus LogP
-0.6
Log S (ESOL)
-0.05
Class (ESOL)
Very soluble
Log S (Ali)
-0.18
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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